============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 15 1.000 34.879 -6.230 24.375 -99.200 -91.000 TYR 16 0.840 33.543 -6.051 28.966 -99.200 -91.000 PHE 17 1.000 40.613 -0.083 30.566 -99.200 -91.000 HIS 29 0.900 36.113 -16.407 27.643 -99.200 -91.000 PHE 32 1.000 31.436 -10.788 26.670 -99.200 -91.000 TYR 34 0.840 39.168 -14.177 29.639 -99.200 -91.000 PHE 43 1.000 44.265 -5.183 33.573 -99.200 -91.000 HIS 66 0.900 31.460 14.649 25.167 -99.200 -91.000 TYR 74 0.840 44.027 -7.603 24.651 -99.200 -91.000 PHE 84 1.000 42.509 6.860 30.614 -99.200 -91.000 PHE 89 1.000 46.293 7.532 34.310 -99.200 -91.000 PHE 109 1.000 43.066 20.075 16.455 -99.200 -91.000 PHE 116 1.000 46.774 22.140 26.541 -99.200 -91.000 HIS 127 0.900 47.377 6.369 29.577 -99.200 -91.000 TYR 132 0.840 41.555 8.877 21.014 -99.200 -91.000 TYR 158 0.840 46.112 19.082 10.831 -99.200 -91.000 PHE 170 1.000 37.531 -3.215 8.562 -99.200 -91.000 TYR 178 0.840 31.467 -18.758 9.800 -99.200 -91.000 HIS 194 0.900 39.945 -7.694 12.279 -99.200 -91.000 TYR 214 0.840 35.072 -15.815 6.757 -99.200 -91.000 TRP 217 1.040 29.568 -18.732 4.752 -99.200 -91.000 TRP6 217 1.020 29.470 -16.688 5.923 -99.200 -91.000 TYR 231 0.840 26.495 -4.411 0.687 -99.200 -91.000 PHE 235 1.000 34.778 -10.488 0.225 -99.200 -91.000 HIS 236 0.900 40.726 -4.247 6.421 -99.200 -91.000 TYR 240 0.840 44.800 -10.617 14.325 -99.200 -91.000 PHE 247 1.000 51.059 -20.209 2.001 -99.200 -91.000 TYR 257 0.840 46.270 -18.333 1.098 -99.200 -91.000 PHE 268 1.000 30.973 -9.411 -3.511 -99.200 -91.000 HIS 269 0.900 40.300 -4.466 -4.083 -99.200 -91.000 TRP 309 1.040 56.921 -5.694 13.595 -99.200 -91.000 TRP6 309 1.020 58.426 -5.460 15.374 -99.200 -91.000 PHE 318 1.000 61.052 2.197 7.787 -99.200 -91.000 PHE 319 1.000 55.637 -0.347 8.111 -99.200 -91.000 HIS 326 0.900 48.799 -2.792 -2.433 -99.200 -91.000 TYR 347 0.840 54.941 11.362 4.918 -99.200 -91.000 TYR 356 0.840 41.551 0.451 9.252 -99.200 -91.000